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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-Bromo-5-nitrobenzonitrile - ≥97% , CAS No.134604-07-2
Synonyms
CK2117 | AC-907/25004603 | J-504539 | AKOS015834885 | MFCD00234249 | 1-cyano-2-bromo-5-nitrobenzene | PS-3448 | DTXSID60427754 | 2-bromo-5-nitrobenzonitrile | 2-bromo-5-nitro-benzonitrile | 2-Bromo-5-nitrobenzonitrile, 97% | 2-bromanyl-5-nitro-benzenecarb
Storage
Argon charged,Room temperature
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
CK2117 | AC-907/25004603 | J-504539 | AKOS015834885 | MFCD00234249 | 1-cyano-2-bromo-5-nitrobenzene | PS-3448 | DTXSID60427754 | 2-bromo-5-nitrobenzonitrile | 2-bromo-5-nitro-benzonitrile | 2-Bromo-5-nitrobenzonitrile, 97% | 2-bromanyl-5-nitro-benzenecarb
Specifications & Purity
≥97%
Storage
Argon charged, Room temperature
Names and Identifiers Canonical Smiles C1=CC(=C(C=C1[N+](=O)[O-])C#N)Br IUPAC Name 2-bromo-5-nitrobenzonitrile InChIKey RKODNVITKISFKU-UHFFFAOYSA-N INCHI 1S/C7H3BrN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H Isomeric SMILES C1=CC(=C(C=C1[N+](=O)[O-])C#N)Br WGK Germany 3 PubChem CID 7095423 Molecular Weight 227.01
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Nitrobenzenes Intermediate Tree Nodes Not available Direct Parent Nitrobenzenes Alternative Parents Nitroaromatic compounds Benzonitriles Bromobenzenes Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organobromides Organic salts Organic oxides Hydrocarbon derivatives Organic cations Molecular Framework Aromatic homomonocyclic compounds Substituents Nitrobenzene - Nitroaromatic compound - Benzonitrile - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organic nitro compound - C-nitro compound - Carbonitrile - Nitrile - Organic 1,3-dipolar compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organohalogen compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Cyanide - Organobromide - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity Moisture sensitive Melt Point(°C) 118-120°C Molecular Weight 227.010 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 0 Exact Mass 225.938 Da Monoisotopic Mass 225.938 Da Topological Polar Surface Area 69.600 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 229.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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